986 resultados para Nonorthogonal state particles
Resumo:
1.2,3-Trihydroxybenzene (THB) reacts with 8-hydroxyquinoline (8HQ) in the solid state forming an orange-coloured charge transfer complex THB* (8HQ)(2). When the reaction was carried out in a petri dish, or when the vapours of 8HQ were allowed to react with solid THB (gravimetric study), the reaction product separated out as good quality, shiny single crystals. X-Ray diffraction studies on single crystals showed that they belong to the orthorhombic system with a = 15.408(1), b = 16.276(1), c = 7.825(1) Angstrom, Z = 4, D-x = 1.413 g cm(-3) and space group Pnaa. From the crystallographic evidence it has been found that the proton of the middle OH group of THB is transferred to the N atom of 8HQ. This accounts for the observed colour change. Kinetic studies on the solid state reaction showed that the 8HQ molecules diffuse towards THB, and the lateral diffusion occurs through surface migration, grain boundary diffusion and vapour phase diffusion. Gravimetric studies of the reaction between solid THB and 8HQ vapour showed that the diffusion of 8HQ molecules into the crystal lattice of THB has a higher energy of activation than that observed when the reactants are in contact. The nature of the crystal packing in the reaction product indicates diffusion of 8HQ molecules into the crystal lattice of THB along the c-axis, to occupy the cavities present between the THB molecules in the unit cell.
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Displaced squeezed states are proposed as variational ground states for phonons (Bose fields) coupled to two-level systems (spin systems). We have investigated the zero-temperature phase diagram for the localization-delocalization transition of a tunneling particle interacting with an Ohmic heat bath. Our results are compared with known existing approximate treatments. A modified phase diagram using the displaced squeezed state is presented.
Resumo:
The physics of the solid state has grown into that of condensed matter and is now expanding into the study of a bewildering variety of complex systems. After a brief survey of this progression, I enquire into the health of solid state physics; many signs of vitality and growth are found. The Indian scene in this field is briefly sketched, and some suggestions are offered on how to make it more lively,
Resumo:
Interaction of CO with Cu clusters deposited on a ZnO(0001) crystal and on ZnO/Zn surfaces (prepared in the electron spectrometer) has been examined by UV and X-ray photoelectron spectroscopy. The interaction is stronger with the small Cu clusters deposited on ZnO/Zn surfaces. Interaction of CO is evert stronger with annealed Cu/ZnO/Zn surfaces where Cu-Zn alloy particles are present. Copyright (C) 1996 Published by Elsevier Science Ltd
Resumo:
The structure of Fe(Phen)(2)(NCS)(2) has been examined across the first-order spin-state transition by EXAFS with full multiple scattering analysis. The EXAFS data at 298 K can be satisfactorily assigned to the high-spin state, but the analysis of the low-temperature data at 90 K is not entirely unequivocal, although consistent with the predominant presence of the low-spin state. That some proportion of the high-spin state remains at low temperatures, well below the first-order transition, is clearly evidenced in the infrared spectra, suggesting possible sublattice ordering.
Resumo:
The spinning sidebands observed in the C-13 MAS NMR spectra of cis,cis-mucononitrile oriented in liquid-crystalline media and of the neat sample in the solid state are studied. There are differences in the sideband intensity patterns in the two cases. These differences arise because the order parameters which characterize the orientation of the solute in the liquid-crystalline media differ for different axes. It is shown that, in general, the relative intensities of the sidebands contain information on the sign and magnitude of an effective chemical-shift parameter which is a function of the sum of the products of the principal components of the chemical-shift tensor and the corresponding order parameters with respect to the director. A method for obtaining the orientation of the carbon chemical-shift tensor is proposed. The carbon chemical-shift tensors obtained from gauge-including atomic orbital calculations are also presented for comparison. (C) 1996 Academic Press, Inc.
Resumo:
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a �Full Text� option. The original article is trackable via the �References� option.
Investigations Of Iron Adducts Of C-60 - Novel Fec60 In The Solid-State With Fe Inside The C-60 Cage
Resumo:
By carrying out contact-arc vaporization of graphite in a partial atmosphere of Fe(CO)5, an iron-adduct with C60 has been obtained. The adduct has been characterized by various techniques including mass spectrometry, Fe-57 Mossbauer spectroscopy and Fe K-EXAFS. Properties of this adduct are compared with those of an adduct prepared by solution method where Fe is clearly outside the cage. Results suggest that FeC60 obtained from the gas phase reaction has the Fe atom in the cage.
Resumo:
Fe/AlOOH gels calcined and reduced at different temperatures have been investigated by a combined use of Mossbauer spectroscopy, x-ray diffraction, and electron microscopy in order to obtain information on the nature of the iron species formed as well as the various reduction processes. Calcination at or below 1070 K mainly gives reducible Fe3+ while calcination at higher temperatures gives substitutional Fe3+ in the form of Al2-xFexO3. The Fe3+ species in the calcined samples are, by and large, present in the form of small superparamagnetic particles. Crystallization of Al2O3 from the gels is catalyzed by Fe2O3 as well as FeAl2O4. Fe (20 wt. %)/AlOOH gels calcined at or below 870 K give FeAl2O4 when reduced in hydrogen at 1070 K or lower and a ferromagnetic Fe0-Al2O3 composite (with the metallic Fe particles >100 angstrom) when reduced at 1270 K. Samples calcined at 1220 K or higher give the Fe0-Al2O3 composite when reduced in the 870-12,70 K range, but a substantial proportion of Fe3+ remains unreduced in the form of Al2-xFexO3, showing thereby the extraordinary stability of substitutional Fe3+ to reduction even at high temperatures. Besides the ferromagnetic Fe0-Al2O3 composite, high-temperature reduction of Al2-xFexO3 yields a small proportion of superparamagnetic Fe0-Al2O3 wherein small metallic particles (<100 angstrom) are embedded in the ceramic matrix. In order to preferentially obtain the Fe0-Al2O3 composite on reduction, Fe/AlOOH gels should be calcined at low temperatures (less-than-or-equal-to 1100 K); high-temperature calcination results in Al2-xFexO3. Several modes of formation of FeAl2O4 are found possible during reduction of the gels, but a novel one is that involving the reaction, 2Fe3+ + Fe0 --> 3Fe2+.
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We have carried out Brownian dynamics simulations of binary mixtures of charged colloidal suspensions of two different diameter particles with varying volume fractions phi and charged impurity concentrations n(i). For a given phi, the effective temperature is lowered in many steps by reducing n(i) to see how structure and dynamics evolve. The structural quantities studied are the partial and total pair distribution functions g(tau), the static structure factors, the time average g(<(tau)over bar>), and the Wendt-Abraham parameter. The dynamic quantity is the temporal evolution of the total meansquared displacement (MSD). All these parameters show that by lowering the effective temperature at phi = 0.2, liquid freezes into a body-centered-cubic crystal whereas at phi = 0.3, a glassy state is formed. The MSD at intermediate times shows significant subdiffusive behavior whose time span increases with a reduction in the effective temperature. The mean-squared displacements for the supercooled liquid with phi = 0.3 show staircase behavior indicating a strongly cooperative jump motion of the particles.
Resumo:
Considering cement based composites as chemically bonded ceramics (CBC) the consequent strength development with age is essentially a constant volume solidification process, such that the hydrated gel particles fill the space resulting in the compatible gel space ratios. Analysis has been done of the extensively used graphical method of mix design (British method of mix design) i.e., the relation between the compressive strength and the free water - cement ratio. By considering the strength (S) at w/c 0.5 (S-0.5) as the reference state to reflect the synergetic effects between constituents of concrete a generalized relationship obtained is of the form {S/S-0.5} = a + b {1/(w/c)}.
Resumo:
We have investigated tunneling conductances in disordered, normally conducting perovskite oxides close to the metal�insulator transition. We show that the normal state tunneling conductance of perovskite oxides can be cast in a general form G(V) = G0[1 + curly logical orV/V*curly logical orn] with 1?n?0.5 and where V* is an intrinsic energy scale. The exponent n graduall y increases from 0.5 to 1 as the metal-insulator (M-I) transition is approached. In the high-Tc Bi(2212) cuprates, the normally observed, linear G(V)(n=1) can be made sub-linear (n<1) by substitution of Ca with Y. From the similarity of the linear conductances, we suggest proximity to the M-I transition as a likely cause for this G(V)logical or, bar below V dependence. In systems showing linear conductances (nreverse similar, equals1), we find that ?G/?Vreverse similar, equalsG?0 with ?reverse similar, equals 1 and the intrinsic energy scale V*reverse similar, equals25�75 meV in the different oxides investigated.
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The influence of strain rate and state-of-stress on the formation of ferrite in stainless steel type AISI 304L, 304 and 304 as-cast, during hot working has been studied. Compression and torsion tests were conducted in the temperature range 1100 to 1250 degrees C and strain rate range 0.001 to 100 s(-1) on these materials, Ferrite formation occurs during deformation at temperatures above 1150 degrees C and strain rates above 10 s(-1), in stainless steel type AISI 304L and 304. The tendency for the formation of ferrite is more in as-cast 304 than in wrought 304, In as-cast 304 the ferrite forms at lower temperatures and strain rates, The tendency for the ferrite formation is more in torsion than in compression.
Resumo:
By employing EXAFS and magnetic measurements, it is shown that nanoparticles of nickel along with those of NiO are incorporated between the layers of a-zirconium phosphate (ZrP) by the thermal decomposition of nickel acetate intercalated in ZrP. The nickel nanoparticles are superparamagnetic. Hydrogen reduction produces small ferromagnetic nickel particles, most of which appear to be outside the interlayer space of ZrP.
Resumo:
We construct a new many-body Hamiltonian with two- and three-body interactions in two space dimensions and obtain its exact many-body ground state for an arbitrary number of particles. This ground state has a novel pairwise correlation. A class of exact solutions for the excited states is also found. These excited states display an energy spectrum similar to the Calogero-Sutherland model in one dimension. The model reduces to an analog of the well-known trigonometric Sutherland model when projected on to a circular ring.